SCHEMBL21089377

SCHEMBL21089377

CC(C)(C)OC(=O)NCC1CN(C(=O)Oc2ccccc2Br)C1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 3/20 0.56
DRD2 P14416 4/20 0.44
KDM4E B2RXH2 1/20 0.43
PKM P14618 1/20 0.43
ACACB O00763 5/20 0.41
CKS1B P61024 1/20 0.41
SKP1 P63208 1/20 0.41
SKP2 Q13309 1/20 0.41
ACACA Q13085 3/20 0.40
SSTR1 P30872 1/20 0.40
SSTR4 P31391 1/20 0.40
ACKR3 P25106 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA2B P29275 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21088591 0.91 NAMPT (0.62) NAMPTDRD2KDM4EPKMSSTR1
SCHEMBL31617924 0.77 NAMPT (0.56) NAMPTDRD2KDM4EPKMCKS1B
SCHEMBL1413406 0.76 NAMPT (0.52) NAMPTDRD2KDM4EPKMACACB
SCHEMBL15934192 0.76 NAMPT (0.49) NAMPTDRD2KDM4EPKMACACB
SCHEMBL15936742 0.76 NAMPT (0.47) NAMPTDRD2KDM4EPKMACACB
SCHEMBL25081005 0.73 NAMPT (0.67) NAMPTDRD2KDM4EPKMACACB
SCHEMBL15936729 0.73 NAMPT (0.58) NAMPTKDM4EPKMACKR3
SCHEMBL2826301 0.73 NAMPT (0.61) NAMPTDRD2KDM4EPKMACKR3
SCHEMBL21089019 0.73 ALDH1A1 (0.46)
SCHEMBL28664533 0.72 ALDH1A1 (0.52) NAMPTDRD2KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3495359-A1 FLAP MODULATORS Janssen Pharmaceutica NV (BE) 2019-06-12 EP disclosed